UCSF

ZINC37759507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.63 2.6 -38.49 4 5 1 63 281.355 4
Mid Mid (pH 6-8) 0.63 2.5 -41.19 4 5 1 63 281.355 4
Mid Mid (pH 6-8) 0.63 0.22 -6.58 3 5 0 62 280.347 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )